(3Z)-2-methyl-5-(2-methylpentan-2-yloxymethyl)hexa-1,3,5-triene

C14H24O — CID 144864848

IUPAC(3Z)-2-methyl-5-(2-methylpentan-2-yloxymethyl)hexa-1,3,5-triene
SMILESC=C(C)/C=C\C(=C)COC(C)(C)CCC
InChIInChI=1S/C14H24O/c1-7-10-14(5,6)15-11-13(4)9-8-12(2)3/h8-9H,2,4,7,10-11H2,1,3,5-6H3/b9-8-
InChIKeyCKWDQGVABARHTJ-HJWRWDBZSA-N
MW208.34 g/mol
LogP4.27
Rot. Bonds7

About (3Z)-2-methyl-5-(2-methylpentan-2-yloxymethyl)hexa-1,3,5-triene

(3Z)-2-methyl-5-(2-methylpentan-2-yloxymethyl)hexa-1,3,5-triene (PubChem CID 144864848) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (3Z)-2-methyl-5-(2-methylpentan-2-yloxymethyl)hexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-2-methyl-5-(2-methylpentan-2-yloxymethyl)hexa-1,3,5-triene
PubChem CID144864848
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(3Z)-2-methyl-5-(2-methylpentan-2-yloxymethyl)hexa-1,3,5-triene
SMILESC=C(C)/C=C\C(=C)COC(C)(C)CCC
InChIInChI=1S/C14H24O/c1-7-10-14(5,6)15-11-13(4)9-8-12(2)3/h8-9H,2,4,7,10-11H2,1,3,5-6H3/b9-8-
InChIKeyCKWDQGVABARHTJ-HJWRWDBZSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z)-2-methyl-5-(2-methylpentan-2-yloxymethyl)hexa-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-methylpentan-2-yloxy)prop-1-en-2-yl]hydroxylamine
CID 88982031
2,3,3-trimethyl-4-(2-methylpentan-2-yloxy)but-1-ene
CID 123757864
ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene
CID 143257359
(3E,5Z)-2,5-dimethylhepta-1,3,5-triene;3,3-dimethylhexane;ethane
CID 171811012
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
2,5-dimethyl-5-propylocta-1,3,7-triene
CID 123969278
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 144843023
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 145336589
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415
N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane
CID 144742441
2-methylpentan-2-yl 2,2-dimethyl-3-(2-methylpentan-2-yloxy)propanoate
CID 141354214

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-methyl-5-(2-methylpentan-2-yloxymethyl)hexa-1,3,5-triene?
The IUPAC name of (3Z)-2-methyl-5-(2-methylpentan-2-yloxymethyl)hexa-1,3,5-triene (CID 144864848) is (3Z)-2-methyl-5-(2-methylpentan-2-yloxymethyl)hexa-1,3,5-triene.
What is the SMILES notation for (3Z)-2-methyl-5-(2-methylpentan-2-yloxymethyl)hexa-1,3,5-triene?
The canonical SMILES for (3Z)-2-methyl-5-(2-methylpentan-2-yloxymethyl)hexa-1,3,5-triene is C=C(C)/C=C\C(=C)COC(C)(C)CCC.
What is the InChIKey of (3Z)-2-methyl-5-(2-methylpentan-2-yloxymethyl)hexa-1,3,5-triene?
The InChIKey is CKWDQGVABARHTJ-HJWRWDBZSA-N. The full InChI is InChI=1S/C14H24O/c1-7-10-14(5,6)15-11-13(4)9-8-12(2)3/h8-9H,2,4,7,10-11H2,1,3,5-6H3/b9-8-.
What are the key properties of (3Z)-2-methyl-5-(2-methylpentan-2-yloxymethyl)hexa-1,3,5-triene?
(3Z)-2-methyl-5-(2-methylpentan-2-yloxymethyl)hexa-1,3,5-triene has a molecular weight of 208.34 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methyl-5-(2-methylpentan-2-yloxymethyl)hexa-1,3,5-triene is sourced from PubChem (CID 144864848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).